Geometry & MOs

Info

ID:	425239
PubChem CID:	135125614
Reduced:	FIH3N3C7 (1)
Stoich.:	ABC3D3E7 (1)
Weight, g/mol:	572.181744
ΔH_f, kcal/mol:	75.96
Dipole, Da:	3.12
IP(EA), eV:	-9.95(-2.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(dimethylamino)methyl]-N-[5-[2-[2-methyl-5-[[4-(trifluoromethyl)pyridin-2-yl]carbamoyl]phenyl]ethynyl]-1,3-thiazol-2-yl]morpholine-4-carboxamide

Drug info:

PubChemData

Smile

C1=C(N=CC(=N1)C(=CI)F)C#N

DOS

IR

Vibrations